1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid

C10H11F2N3O3 — CID 122048371

IUPAC1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2nccnc2OC(F)F)C1
InChIInChI=1S/C10H11F2N3O3/c11-10(12)18-8-7(13-2-3-14-8)15-4-1-6(5-15)9(16)17/h2-3,6,10H,1,4-5H2,(H,16,17)
InChIKeyPQZFWRJCZCAUDF-UHFFFAOYSA-N
MW259.21 g/mol
LogP0.99
Rot. Bonds4

About 1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid

1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 122048371) has the molecular formula C10H11F2N3O3 and a molecular weight of 259.21 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID122048371
Molecular FormulaC10H11F2N3O3
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Name1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2nccnc2OC(F)F)C1
InChIInChI=1S/C10H11F2N3O3/c11-10(12)18-8-7(13-2-3-14-8)15-4-1-6(5-15)9(16)17/h2-3,6,10H,1,4-5H2,(H,16,17)
InChIKeyPQZFWRJCZCAUDF-UHFFFAOYSA-N
XLogP0.99
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid (CID 122048371) is 1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2nccnc2OC(F)F)C1.
What is the InChIKey of 1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is PQZFWRJCZCAUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O3/c11-10(12)18-8-7(13-2-3-14-8)15-4-1-6(5-15)9(16)17/h2-3,6,10H,1,4-5H2,(H,16,17).
What are the key properties of 1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid?
1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 259.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122048371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).